General Information of the Compound
Compound ID
CP0463645
Compound Name
(2R)-N,N-dibenzyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
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Structure
Formula
C25H27NO
Molecular Weight
357.497
Canonical SMILES
COc1cccc2C[C@@H](CCc12)N(Cc1ccccc1)Cc1ccccc1
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InChI
InChI=1S/C25H27NO/c1-27-25-14-8-13-22-17-23(15-16-24(22)25)26(18-20-9-4-2-5-10-20)19-21-11-6-3-7-12-21/h2-14,23H,15-19H2,1H3/t23-/m1/s1
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InChIKey
MNNMWEOINNJPCF-HSZRJFAPSA-N
Physicochemical Property
logP
5.2549
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 22082742
ChEMBL ID
CHEMBL69705
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki > 5000 nM
   TI
   LI
   LO
   TS